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OMG: Open Molecule Generator.
J Cheminform. 2012 Sep 17;4(1):21. doi: 10.1186/1758-2946-4-21.
J Cheminform. 2012.
PMID: 22985496
Free PMC article.
Automated pipeline for de novo metabolite identification using mass-spectrometry-based metabolomics.
Peironcely JE, Rojas-Chertó M, Tas A, Vreeken R, Reijmers T, Coulier L, Hankemeier T.
Peironcely JE, et al.
Anal Chem. 2013 Apr 2;85(7):3576-83. doi: 10.1021/ac303218u. Epub 2013 Mar 21.
Anal Chem. 2013.
PMID: 23368721
Free article.
Item in Clipboard
MetiTree: a web application to organize and process high-resolution multi-stage mass spectrometry metabolomics data.
Rojas-Chertó M, van Vliet M, Peironcely JE, van Doorn R, Kooyman M, te Beek T, van Driel MA, Hankemeier T, Reijmers T.
Rojas-Chertó M, et al. Among authors: peironcely je.
Bioinformatics. 2012 Oct 15;28(20):2707-9. doi: 10.1093/bioinformatics/bts486. Epub 2012 Jul 31.
Bioinformatics. 2012.
PMID: 22851531
Free PMC article.
Item in Clipboard
Understanding and classifying metabolite space and metabolite-likeness.
Peironcely JE, Reijmers T, Coulier L, Bender A, Hankemeier T.
Peironcely JE, et al.
PLoS One. 2011;6(12):e28966. doi: 10.1371/journal.pone.0028966. Epub 2011 Dec 14.
PLoS One. 2011.
PMID: 22194963
Free PMC article.
Item in Clipboard
Metabolite identification using automated comparison of high-resolution multistage mass spectral trees.
Rojas-Cherto M, Peironcely JE, Kasper PT, van der Hooft JJ, de Vos RC, Vreeken R, Hankemeier T, Reijmers T.
Rojas-Cherto M, et al. Among authors: peironcely je.
Anal Chem. 2012 Jul 3;84(13):5524-34. doi: 10.1021/ac2034216. Epub 2012 Jun 22.
Anal Chem. 2012.
PMID: 22612383
Item in Clipboard
How do metabolites differ from their parent molecules and how are they excreted?
Kirchmair J, Howlett A, Peironcely JE, Murrell DS, Williamson MJ, Adams SE, Hankemeier T, van Buren L, Duchateau G, Klaffke W, Glen RC.
Kirchmair J, et al. Among authors: peironcely je.
J Chem Inf Model. 2013 Feb 25;53(2):354-67. doi: 10.1021/ci300487z. Epub 2013 Jan 25.
J Chem Inf Model. 2013.
PMID: 23351040
Item in Clipboard
Chemogenomics approaches for receptor deorphanization and extensions of the chemogenomics concept to phenotypic space.
van der Horst E, Peironcely JE, van Westen GJ, van den Hoven OO, Galloway WR, Spring DR, Wegner JK, van Vlijmen HW, Ijzerman AP, Overington JP, Bender A.
van der Horst E, et al. Among authors: peironcely je.
Curr Top Med Chem. 2011;11(15):1964-77. doi: 10.2174/156802611796391230.
Curr Top Med Chem. 2011.
PMID: 21470175
Review.
Item in Clipboard
A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization.
van der Horst E, Peironcely JE, Ijzerman AP, Beukers MW, Lane JR, van Vlijmen HW, Emmerich MT, Okuno Y, Bender A.
van der Horst E, et al. Among authors: peironcely je.
BMC Bioinformatics. 2010 Jun 10;11:316. doi: 10.1186/1471-2105-11-316.
BMC Bioinformatics. 2010.
PMID: 20537162
Free PMC article.
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